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Information card for entry 2200500
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| Coordinates | 2200500.cif |
|---|---|
| Structure factors | 2200500.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(L-threoninium)sulfate monohydrate |
|---|---|
| Chemical name | Bis(L-threoninium) sulfate monohydrate |
| Formula | C8 H22 N2 O11 S |
| Calculated formula | C8 H22 N2 O11 S |
| SMILES | S(=O)(=O)([O-])[O-].O=C(O)[C@@H]([NH3+])[C@@H](C)O.O=C(O)[C@@H]([NH3+])[C@H](O)C.O |
| Title of publication | Bis(<small>L</small>-threoninium) sulfate monohydrate |
| Authors of publication | Sridhar, B.; Srinivasan, N.; Rajaram, R. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o581 - o583 |
| a | 23.096 ± 0.004 Å |
| b | 6.281 ± 0.009 Å |
| c | 11.648 ± 0.001 Å |
| α | 90° |
| β | 116.122 ± 0.009° |
| γ | 90° |
| Cell volume | 1517 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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